| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2008 | 17 | No |
Popular Name: 4'-Chloro-3,4-dihydroxybenzophenone 4'-Chloro-3,4-dihydroxybenzophenone
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CAS Number: 134612-84-3
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.10 | 3.45 | -9.92 | 2 | 3 | 0 | 58 | 248.665 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.10 | 4.26 | -46.43 | 1 | 3 | -1 | 60 | 247.657 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81057-1-O | HUVEC (Umbilical Vein Endothelial Cells) (cluster #1 Of 4), Other | Other | 8900 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81057 | Z81057 | HUVEC (Umbilical Vein Endothelial Cells) | 8900 | 0.42 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.